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CHEBI:93573 - 2-cyano-N-[4-[[4-[[2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]cyclohexyl]methyl]cyclohexyl]-3-(3,4-dihydroxyphenyl)-2-propenamide

ChEBI IDCHEBI:93573
ChEBI Name2-cyano-N-[4-[[4-[[2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]cyclohexyl]methyl]cyclohexyl]-3-(3,4-dihydroxyphenyl)-2-propenamide
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DownloadsMolfile
FormulaC33H36N4O6
Net Charge0
Average Mass584.673
Monoisotopic Mass584.26348
SMILESN#CC(=Cc1ccc(O)c(O)c1)C(=O)NC1CCC(CC2CCC(NC(=O)C(C#N)=Cc3ccc(O)c(O)c3)CC2)CC1
InChIInChI=1S/C33H36N4O6/c34-18-24(14-22-5-11-28(38)30(40)16-22)32(42)36-26-7-1-20(2-8-26)13-21-3-9-27(10-4-21)37-33(43)25(19-35)15-23-6-12-29(39)31(41)17-23/h5-6,11-12,14-17,20-21,26-27,38-41H,1-4,7-10,13H2,(H,36,42)(H,37,43)
InChIKeyVEPQEAOWDILSHB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-cyano-N-[4-[[4-[[2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]cyclohexyl]methyl]cyclohexyl]-3-(3,4-dihydroxyphenyl)-2-propenamide (CHEBI:93573) is a hydroxycinnamic acid (CHEBI:24689)
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